4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid

C9H17NO7S — CID 62480752

IUPAC4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
SMILESCOCCC(NS(=O)(=O)CCC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO7S/c1-16-5-3-7(9(12)13)10-18(14,15)6-4-8(11)17-2/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyXKCZNORXDFUFIR-UHFFFAOYSA-N
MW283.30 g/mol
LogP-1.04
Rot. Bonds9

About 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid

4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid (PubChem CID 62480752) has the molecular formula C9H17NO7S and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
PubChem CID62480752
Molecular FormulaC9H17NO7S
Molecular Weight283.30 g/mol
Exact Mass283.07
IUPAC Name4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
SMILESCOCCC(NS(=O)(=O)CCC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO7S/c1-16-5-3-7(9(12)13)10-18(14,15)6-4-8(11)17-2/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyXKCZNORXDFUFIR-UHFFFAOYSA-N
XLogP-1.04
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-hydroxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 61458313
(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906584
(2S)-5-amino-2-(3-methoxypropylsulfonylamino)-5-oxopentanoic acid
CID 55172494
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
CID 62479156
4-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 62479861
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 104906657
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270
(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid
CID 104935127
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid (CID 62480752) is 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid is COCCC(NS(=O)(=O)CCC(=O)OC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid?
The InChIKey is XKCZNORXDFUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO7S/c1-16-5-3-7(9(12)13)10-18(14,15)6-4-8(11)17-2/h7,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid?
4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid has a molecular weight of 283.30 g/mol, XLogP of -1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 62480752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).